Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DM4OKXI)

• Drug Name: Benzotetronic acid Drug Info
• Synonyms: Coumarin, 4-hydroxy-; X954ZLL2RD; 1076-38-6; 2-Hydroxychromone; 2-hydroxychromen-4-one; 2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-; 4-Coumarinol; 4-Hydroxycoumarin; 4-HYDROXY-1-BENZOPYRAN-2-ONE; 4-Hydroxy-2H-1-benzopyran-2-one; 4-Hydroxy-2H-chromen-2-one; 4-Hydroxy-chromen-2-one; 4-Hydroxycoumarin, 98%; 4-Hydroxycoumarine; 4-hydroxy-2-chromenone; 4-hydroxy-coumarin; 4-hydroxychromen-2-one; 4H-1-Benzopyran-4-one, 2-hydroxy-; AI3-52393; BRN 0129768; CHEMBL301141; EINECS 214-060-2; MFCD00006856; NSC 11889; UNII-X954ZLL2RD
• Cross-matching ID:
  PubChem CID: 54682930
  ChEBI ID: CHEMBL40070
  CAS Number: CAS 1076-38-6
  TTD Drug ID: DM4OKXI
  INTEDE Drug ID: DR0012

Molecule-Related Drug Atlas

Drug(s) Metabolized By Cytochrome P450 3A4 (CYP3A4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[3]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[4]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[5]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[6]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[7]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[8]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[9]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[10]
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[4]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[11]

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4) Main DME	DE4LYSA	CP3A4_HUMAN	Substrate	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Vitamin K epoxide reductase complex subunit 1	OTOJNJRD	VKOR1_HUMAN	Gene/Protein Processing	[2]
Vitamin K epoxide reductase complex subunit 1-like protein 1	OT7QSEWT	VKORL_HUMAN	Gene/Protein Processing	[2]

References

• [1] CYP3A4 and CYP2A6 activities marked by the metabolism of lignocaine and coumarin in patients with liver and kidney diseases and epileptic patients. Br J Clin Pharmacol. 1995 Jan;39(1):71-6.
• [2] VKORC1 and VKORC1L1 have distinctly different oral anticoagulant dose-response characteristics and binding sites. Blood Adv. 2018 Mar 27;2(6):691-702.
• [3] Expression levels and activation of a PXR variant are directly related to drug resistance in osteosarcoma cell lines. Cancer. 2007 Mar 1;109(5):957-65.
• [4] Contribution of human hepatic cytochrome P450 isoforms to regioselective hydroxylation of steroid hormones. Xenobiotica. 1998 Jun;28(6):539-47.
• [5] Comprehensive evaluation of tamoxifen sequential biotransformation by the human cytochrome P450 system in vitro: prominent roles for CYP3A and CYP2D6. J Pharmacol Exp Ther. 2004 Sep;310(3):1062-75.
• [6] Isoform-specific regulation of cytochromes P450 expression by estradiol and progesterone. Drug Metab Dispos. 2013 Feb;41(2):263-9.
• [7] Metabolic interactions between acetaminophen (paracetamol) and two flavonoids, luteolin and quercetin, through in-vitro inhibition studies. J Pharm Pharmacol. 2017 Dec;69(12):1762-1772.
• [8] Potent mechanism-based inhibition of CYP3A4 by imatinib explains its liability to interact with CYP3A4 substrates. Br J Pharmacol. 2012 Apr;165(8):2787-98.
• [9] Effects of morin on the pharmacokinetics of etoposide in rats. Biopharm Drug Dispos. 2007 Apr;28(3):151-6.
• [10] The metabolism of zidovudine by human liver microsomes in vitro: formation of 3'-amino-3'-deoxythymidine. Biochem Pharmacol. 1994 Jul 19;48(2):267-76.
• [11] Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development. Curr Med Chem. 2009;16(27):3480-675.